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SCHEMBL4421729

SCHEMBL4421729

CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 20/20 1.00
▸ KCNH2 Q12809 6/20 1.00
▸ CCR5 P51681 3/20 0.84

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4421737 1.00 CCR2 (1.00) CCR2KCNH2CCR5
SCHEMBL4417516 1.00 CCR2 (1.00) CCR2KCNH2CCR5
SCHEMBL4413627 1.00 CCR2 (1.00) CCR2KCNH2CCR5
SCHEMBL4421732 1.00 CCR2 (1.00) CCR2KCNH2CCR5
SCHEMBL4412598 0.95 CCR2 (0.90) CCR2KCNH2CCR5
SCHEMBL4412595 0.95 CCR2 (0.90) CCR2KCNH2CCR5
SCHEMBL4412601 0.95 CCR2 (0.90) CCR2KCNH2CCR5
SCHEMBL4417196 0.95 CCR2 (1.00) CCR2KCNH2CCR5
SCHEMBL4413658 0.95 CCR2 (1.00) CCR2KCNH2CCR5
SCHEMBL4413743 0.95 CCR2 (1.00) CCR2KCNH2CCR5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606255-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2009-11-11 — — EP claimed